We study the transport properties of 4-((9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy) benzaldehyde

molecular optical switch by the first-principles calculations. Our molecule can reversibly switch between

trans ...

Using non-equilibrium Green’s function formalism combined with first-principles density functional theory, we analyzed the transport properties of (Z)-4-aminopent-3-en-2-one (which can be transformed into two enol and keto ...